CID 56842850

Lym6mzp2ax

Structural Information

Molecular Formula
C23H43NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC1=NC(CO1)(CC)CO
InChI
InChI=1S/C23H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h11-12,25H,3-10,13-21H2,1-2H3/b12-11-
InChIKey
FYWZXBFLSZJILE-QXMHVHEDSA-N
Compound name
[4-ethyl-2-[(Z)-heptadec-8-enyl]-5H-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

348
Patents

365.32938 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.33666 198.8
[M+Na]+ 388.31860 200.7
[M-H]- 364.32210 197.6
[M+NH4]+ 383.36320 211.9
[M+K]+ 404.29254 196.4
[M+H-H2O]+ 348.32664 191.2
[M+HCOO]- 410.32758 214.8
[M+CH3COO]- 424.34323 216.8
[M+Na-2H]- 386.30405 197.3
[M]+ 365.32883 205.0
[M]- 365.32993 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.